1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol

C10H20F3NO2 — CID 116534815

IUPAC1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
SMILESCOCC(O)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(4-3-5-10(11,12)13)14-6-9(15)7-16-2/h8-9,14-15H,3-7H2,1-2H3
InChIKeyPEQXKNDGUIFFKL-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.70
Rot. Bonds8

About 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol

1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol (PubChem CID 116534815) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
PubChem CID116534815
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
SMILESCOCC(O)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(4-3-5-10(11,12)13)14-6-9(15)7-16-2/h8-9,14-15H,3-7H2,1-2H3
InChIKeyPEQXKNDGUIFFKL-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156
1,1,1-trifluoro-7-methoxyheptan-4-ol
CID 65091968
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol (CID 116534815) is 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol is COCC(O)CNC(C)CCCC(F)(F)F.
What is the InChIKey of 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The InChIKey is PEQXKNDGUIFFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(4-3-5-10(11,12)13)14-6-9(15)7-16-2/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol has a molecular weight of 243.27 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 116534815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).